3C61

Crystal structure of dihydroorotate dehydrogenase from Leishmania donovani

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-28
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97950
Spacegroup name	P 32
Unit cell lengths	83.869, 83.869, 188.725
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.880 - 1.800
R-factor	0.168
Rwork	0.166
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b4g
RMSD bond length	0.013
RMSD bond angle	1.401
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.098	0.071	0.515
Number of reflections	137519
<I/σ(I)>	9.1
Completeness [%]	100.0	99.9	99.9
Redundancy	5.2	5.9	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	298	2.545M Sodium chloride, 0.1M Citric acid, 5mM Orotic acid pH 5.0, VAPOR DIFFUSION, temperature 298K